3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole

C13H14N2OS — CID 133425169

IUPAC3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole
SMILESC=CCc1ccccc1Oc1nc(CC)ns1
InChIInChI=1S/C13H14N2OS/c1-3-7-10-8-5-6-9-11(10)16-13-14-12(4-2)15-17-13/h3,5-6,8-9H,1,4,7H2,2H3
InChIKeyCHWBSMNWFAODPB-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.62
Rot. Bonds5

About 3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole

3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole (PubChem CID 133425169) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole
PubChem CID133425169
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole
SMILESC=CCc1ccccc1Oc1nc(CC)ns1
InChIInChI=1S/C13H14N2OS/c1-3-7-10-8-5-6-9-11(10)16-13-14-12(4-2)15-17-13/h3,5-6,8-9H,1,4,7H2,2H3
InChIKeyCHWBSMNWFAODPB-UHFFFAOYSA-N
XLogP3.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 154957356
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylbenzoic acid
CID 82830818
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine
CID 686101
CID 15477926
CID 15477926
1-prop-2-enyl-2-propylperoxybenzene
CID 87336505
propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 70576307
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline
CID 65274012
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
1-(2-prop-2-enylphenoxy)propan-1-ol
CID 70371312
2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid
CID 80741684
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole (CID 133425169) is 3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole is C=CCc1ccccc1Oc1nc(CC)ns1.
What is the InChIKey of 3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole?
The InChIKey is CHWBSMNWFAODPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-3-7-10-8-5-6-9-11(10)16-13-14-12(4-2)15-17-13/h3,5-6,8-9H,1,4,7H2,2H3.
What are the key properties of 3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole?
3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole has a molecular weight of 246.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 133425169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).